4-oxidanyl-4-oxidanylidene-3-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Systemtic Name: 4-oxidanyl-4-oxidanylidene-3-[(5Z)-4-oxidanylidene-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Openeye Name: 4-hydroxy-4-oxo-3-[(5Z)-4-oxo-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanoate CAS Name: 4-hydroxy-4-oxo-3-[(5Z)-4-oxo-5-(4-pyridin-1-iumylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoate IUPAC Name: 4-hydroxy-4-oxo-3-[(5Z)-4-oxo-5-(pyridin-1-ium-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate Traditional Name: 4-hydroxy-4-keto-3-[(5Z)-4-keto-5-(pyridin-1-ium-4-ylmethylene)-2-thioxo-thiazolidin-3-yl]butyrate Formula: C13H10N2O5S2 MolecularWeight: 338.3589

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1C=C2C(=O)N(C(=S)S2)C(CC(=O)[O-])C(=O)O

Isomeric SMILES

C1=C[NH+]=CC=C1/C=C\2/C(=O)N(C(=S)S2)C(CC(=O)[O-])C(=O)O

InChI

InChI=1S/C13H10N2O5S2/c16-10(17)6-8(12(19)20)15-11(18)9(22-13(15)21)5-7-1-3-14-4-2-7/h1-5,8H,6H2,(H,16,17)(H,19,20)/b9-5-